Geometry & MOs

Info

ID:	374492
PubChem CID:	131330473
Reduced:	BrFNOH7C10 (1)
Stoich.:	ABCDE7F10 (1)
Weight, g/mol:	255.002386
ΔH_f, kcal/mol:	-27.83
Dipole, Da:	5.53
IP(EA), eV:	-9.82(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)thiophen-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C(=O)C#N)Br)F

DOS

IR

Vibrations